UCSF

ZINC12063456

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 8.05 -11.77 2 5 0 69 363.392 4
Hi High (pH 8-9.5) 3.98 8.86 -41.79 1 5 -1 72 362.384 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )